SpectraBase Compound ID | 2bmrACWUCJk |
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InChI | InChI=1S/C9H19N/c1-7(2)6-9(5)10-8(3)4/h7-8H,6H2,1-5H3/b10-9+ |
InChIKey | QRYKFXJVWYBCGX-MDZDMXLPSA-N |
Mol Weight | 141.26 g/mol |
Molecular Formula | C9H19N |
Exact Mass | 141.15175 g/mol |
SpectraBase Spectrum ID | H8aR8Iu4klj |
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Name | 2,4,6-Trimethyl-3-aza-3-heptene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.151749616 u |
Formula | C9H19N |
InChI | InChI=1S/C9H19N/c1-7(2)6-9(5)10-8(3)4/h7-8H,6H2,1-5H3/b10-9+ |
InChIKey | QRYKFXJVWYBCGX-MDZDMXLPSA-N |
Molecular Weight | 141.258 g/mol |
SMILES | C(\C(=N\C(C)C)C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970218 |